Compile Data Set for Download or QSAR

Found 231 hits with Last Name = 'garneau-tsodikova' and Initial = 's'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
N-acetyltransferase Eis (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM81484 (BROMPERIDOL | Bromoperidol | CAS_2448 | NSC_2448) Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Br)cc1 Show InChI InChI=1S/C21H23BrFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	240	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1039/d1md00239b BindingDB Entry DOI: 10.7270/Q2417214
					More data for this Ligand-Target Pair
N-acetyltransferase Eis (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM21398 (4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...) Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	390	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1039/d1md00239b BindingDB Entry DOI: 10.7270/Q2417214
					More data for this Ligand-Target Pair				3D Structure (crystal)
N-acetyltransferase Eis (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50530672 (CHEMBL4461948) Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(F)cc1 Show InChI InChI=1S/C21H23F2NO2/c22-18-7-3-16(4-8-18)20(25)2-1-13-24-14-11-21(26,12-15-24)17-5-9-19(23)10-6-17/h3-10,26H,1-2,11-15H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	910	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1039/d1md00239b BindingDB Entry DOI: 10.7270/Q2417214
					More data for this Ligand-Target Pair
N-acetyltransferase Eis (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM349604 (US10208000, Compound 46) Show SMILES CN(c1ccc2ccccc2c1)S(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 Show InChI InChI=1S/C19H15N3O4S/c1-22(14-7-6-12-4-2-3-5-13(12)10-14)27(25,26)15-8-9-16-17(11-15)21-19(24)18(23)20-16/h2-11H,1H3,(H,20,23)(H,21,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB US Patent	n/a	n/a	0.240	n/a	n/a	n/a	n/a	n/a	n/a
University of Kentucky Research Foundation US Patent					Assay Description To investigate the potential of these compounds as Eis inhibitors for use in combination with KAN, their biochemical (IC50 values against purified Ei...				US Patent US10208000 (2019) BindingDB Entry DOI: 10.7270/Q28S4S2Z
					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50435279 (CHEMBL2393107) Show SMILES Cc1cccc(Nc2ccccc2C(=O)NCCCCCC(=O)NCCCCNc2c3CCCCc3nc3cc(Cl)ccc23)c1C Show InChI InChI=1S/C38H46ClN5O2/c1-26-13-12-18-32(27(26)2)43-34-17-8-6-15-31(34)38(46)42-24-9-3-4-19-36(45)40-22-10-11-23-41-37-29-14-5-7-16-33(29)44-35-25-28(39)20-21-30(35)37/h6,8,12-13,15,17-18,20-21,25,43H,3-5,7,9-11,14,16,19,22-24H2,1-2H3,(H,40,45)(H,41,44)(H,42,46)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.299	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of electric eel AChE preincubated for 30 mins prior to horseradish peroxidase, H2O2 and DETAPAC addition measured for 20 mins under ROS co...				Bioorg Med Chem 21: 3614-23 (2013) Article DOI: 10.1016/j.bmc.2013.02.047 BindingDB Entry DOI: 10.7270/Q2WQ0557
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50435270 (CHEMBL2393227) Show SMILES Cc1cccc(Nc2ccccc2C(=O)NCCCCCCCCNc2c3CCCCc3nc3cc(Cl)ccc23)c1C Show InChI InChI=1S/C36H43ClN4O/c1-25-14-13-19-31(26(25)2)40-33-18-10-8-16-30(33)36(42)39-23-12-6-4-3-5-11-22-38-35-28-15-7-9-17-32(28)41-34-24-27(37)20-21-29(34)35/h8,10,13-14,16,18-21,24,40H,3-7,9,11-12,15,17,22-23H2,1-2H3,(H,38,41)(H,39,42)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.495	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine as substrate preincubated for 10 mins prior to substrate addition measured every 30 seconds f...				Bioorg Med Chem 21: 3614-23 (2013) Article DOI: 10.1016/j.bmc.2013.02.047 BindingDB Entry DOI: 10.7270/Q2WQ0557
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50435291 (CHEMBL2393095) Show SMILES NCCCCCCCCCNc1c2CCCCc2nc2cc(Cl)ccc12 Show InChI InChI=1S/C22H32ClN3/c23-17-12-13-19-21(16-17)26-20-11-7-6-10-18(20)22(19)25-15-9-5-3-1-2-4-8-14-24/h12-13,16H,1-11,14-15,24H2,(H,25,26)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.604	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine as substrate preincubated for 10 mins prior to substrate addition measured every 30 seconds f...				Bioorg Med Chem 21: 3614-23 (2013) Article DOI: 10.1016/j.bmc.2013.02.047 BindingDB Entry DOI: 10.7270/Q2WQ0557
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50435289 (CHEMBL2393097) Show SMILES NCCCCCCCCCCCCNc1c2CCCCc2nc2cc(Cl)ccc12 Show InChI InChI=1S/C25H38ClN3/c26-20-15-16-22-24(19-20)29-23-14-10-9-13-21(23)25(22)28-18-12-8-6-4-2-1-3-5-7-11-17-27/h15-16,19H,1-14,17-18,27H2,(H,28,29)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.648	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine as substrate preincubated for 10 mins prior to substrate addition measured every 30 seconds f...				Bioorg Med Chem 21: 3614-23 (2013) Article DOI: 10.1016/j.bmc.2013.02.047 BindingDB Entry DOI: 10.7270/Q2WQ0557
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50435268 (CHEMBL2393229) Show SMILES Cc1cccc(Nc2ccccc2C(=O)NCCCCCCCCCCNc2c3CCCCc3nc3cc(Cl)ccc23)c1C Show InChI InChI=1S/C38H47ClN4O/c1-27-16-15-21-33(28(27)2)42-35-20-12-10-18-32(35)38(44)41-25-14-8-6-4-3-5-7-13-24-40-37-30-17-9-11-19-34(30)43-36-26-29(39)22-23-31(36)37/h10,12,15-16,18,20-23,26,42H,3-9,11,13-14,17,19,24-25H2,1-2H3,(H,40,43)(H,41,44)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.776	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine as substrate preincubated for 10 mins prior to substrate addition measured every 30 seconds f...				Bioorg Med Chem 21: 3614-23 (2013) Article DOI: 10.1016/j.bmc.2013.02.047 BindingDB Entry DOI: 10.7270/Q2WQ0557
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50435290 (CHEMBL2393096) Show SMILES NCCCCCCCCCCNc1c2CCCCc2nc2cc(Cl)ccc12 Show InChI InChI=1S/C23H34ClN3/c24-18-13-14-20-22(17-18)27-21-12-8-7-11-19(21)23(20)26-16-10-6-4-2-1-3-5-9-15-25/h13-14,17H,1-12,15-16,25H2,(H,26,27)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.932	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine as substrate preincubated for 10 mins prior to substrate addition measured every 30 seconds f...				Bioorg Med Chem 21: 3614-23 (2013) Article DOI: 10.1016/j.bmc.2013.02.047 BindingDB Entry DOI: 10.7270/Q2WQ0557
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50435278 (CHEMBL2393108) Show SMILES Cc1cccc(Nc2ccccc2C(=O)NCCCCCCNc2c3CCCCc3nc3cc(Cl)ccc23)c1C Show InChI InChI=1S/C34H39ClN4O/c1-23-12-11-17-29(24(23)2)38-31-16-8-6-14-28(31)34(40)37-21-10-4-3-9-20-36-33-26-13-5-7-15-30(26)39-32-22-25(35)18-19-27(32)33/h6,8,11-12,14,16-19,22,38H,3-5,7,9-10,13,15,20-21H2,1-2H3,(H,36,39)(H,37,40)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of electric eel AChE preincubated for 30 mins prior to horseradish peroxidase, H2O2 and DETAPAC addition measured for 20 mins under ROS co...				Bioorg Med Chem 21: 3614-23 (2013) Article DOI: 10.1016/j.bmc.2013.02.047 BindingDB Entry DOI: 10.7270/Q2WQ0557
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50435292 (CHEMBL2393094) Show SMILES NCCCCCCCCNc1c2CCCCc2nc2cc(Cl)ccc12 Show InChI InChI=1S/C21H30ClN3/c22-16-11-12-18-20(15-16)25-19-10-6-5-9-17(19)21(18)24-14-8-4-2-1-3-7-13-23/h11-12,15H,1-10,13-14,23H2,(H,24,25)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine as substrate preincubated for 10 mins prior to substrate addition measured every 30 seconds f...				Bioorg Med Chem 21: 3614-23 (2013) Article DOI: 10.1016/j.bmc.2013.02.047 BindingDB Entry DOI: 10.7270/Q2WQ0557
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50435277 (CHEMBL2393109) Show SMILES Cc1cccc(Nc2ccccc2C(=O)NCCC(=O)NCCCCCCNc2c3CCCCc3nc3cc(Cl)ccc23)c1C Show InChI InChI=1S/C37H44ClN5O2/c1-25-12-11-17-31(26(25)2)42-33-16-8-6-14-30(33)37(45)41-23-20-35(44)39-21-9-3-4-10-22-40-36-28-13-5-7-15-32(28)43-34-24-27(38)18-19-29(34)36/h6,8,11-12,14,16-19,24,42H,3-5,7,9-10,13,15,20-23H2,1-2H3,(H,39,44)(H,40,43)(H,41,45)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine as substrate preincubated for 10 mins prior to substrate addition measured every 30 seconds f...				Bioorg Med Chem 21: 3614-23 (2013) Article DOI: 10.1016/j.bmc.2013.02.047 BindingDB Entry DOI: 10.7270/Q2WQ0557
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50435291 (CHEMBL2393095) Show SMILES NCCCCCCCCCNc1c2CCCCc2nc2cc(Cl)ccc12 Show InChI InChI=1S/C22H32ClN3/c23-17-12-13-19-21(16-17)26-20-11-7-6-10-18(20)22(19)25-15-9-5-3-1-2-4-8-14-24/h12-13,16H,1-11,14-15,24H2,(H,25,26)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of electric eel AChE preincubated for 30 mins prior to horseradish peroxidase, H2O2 and DETAPAC addition measured for 20 mins under ROS co...				Bioorg Med Chem 21: 3614-23 (2013) Article DOI: 10.1016/j.bmc.2013.02.047 BindingDB Entry DOI: 10.7270/Q2WQ0557
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50435289 (CHEMBL2393097) Show SMILES NCCCCCCCCCCCCNc1c2CCCCc2nc2cc(Cl)ccc12 Show InChI InChI=1S/C25H38ClN3/c26-20-15-16-22-24(19-20)29-23-14-10-9-13-21(23)25(22)28-18-12-8-6-4-2-1-3-5-7-11-17-27/h15-16,19H,1-14,17-18,27H2,(H,28,29)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of electric eel AChE preincubated for 30 mins prior to horseradish peroxidase, H2O2 and DETAPAC addition measured for 20 mins under ROS co...				Bioorg Med Chem 21: 3614-23 (2013) Article DOI: 10.1016/j.bmc.2013.02.047 BindingDB Entry DOI: 10.7270/Q2WQ0557
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50435270 (CHEMBL2393227) Show SMILES Cc1cccc(Nc2ccccc2C(=O)NCCCCCCCCNc2c3CCCCc3nc3cc(Cl)ccc23)c1C Show InChI InChI=1S/C36H43ClN4O/c1-25-14-13-19-31(26(25)2)40-33-18-10-8-16-30(33)36(42)39-23-12-6-4-3-5-11-22-38-35-28-15-7-9-17-32(28)41-34-24-27(37)20-21-29(34)35/h8,10,13-14,16,18-21,24,40H,3-7,9,11-12,15,17,22-23H2,1-2H3,(H,38,41)(H,39,42)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of electric eel AChE preincubated for 30 mins prior to horseradish peroxidase, H2O2 and DETAPAC addition measured for 20 mins under ROS co...				Bioorg Med Chem 21: 3614-23 (2013) Article DOI: 10.1016/j.bmc.2013.02.047 BindingDB Entry DOI: 10.7270/Q2WQ0557
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50435268 (CHEMBL2393229) Show SMILES Cc1cccc(Nc2ccccc2C(=O)NCCCCCCCCCCNc2c3CCCCc3nc3cc(Cl)ccc23)c1C Show InChI InChI=1S/C38H47ClN4O/c1-27-16-15-21-33(28(27)2)42-35-20-12-10-18-32(35)38(44)41-25-14-8-6-4-3-5-7-13-24-40-37-30-17-9-11-19-34(30)43-36-26-29(39)22-23-31(36)37/h10,12,15-16,18,20-23,26,42H,3-9,11,13-14,17,19,24-25H2,1-2H3,(H,40,43)(H,41,44)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of electric eel AChE preincubated for 30 mins prior to horseradish peroxidase, H2O2 and DETAPAC addition measured for 20 mins under ROS co...				Bioorg Med Chem 21: 3614-23 (2013) Article DOI: 10.1016/j.bmc.2013.02.047 BindingDB Entry DOI: 10.7270/Q2WQ0557
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM9002 (6-chloro-N-heptyl-1,2,3,4-tetrahydroacridin-9-amin...) Show SMILES CCCCCCCNc1c2CCCCc2nc2cc(Cl)ccc12 Show InChI InChI=1S/C20H27ClN2/c1-2-3-4-5-8-13-22-20-16-9-6-7-10-18(16)23-19-14-15(21)11-12-17(19)20/h11-12,14H,2-10,13H2,1H3,(H,22,23)	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of electric eel AChE preincubated for 30 mins prior to horseradish peroxidase, H2O2 and DETAPAC addition measured for 20 mins under ROS co...				Bioorg Med Chem 21: 3614-23 (2013) Article DOI: 10.1016/j.bmc.2013.02.047 BindingDB Entry DOI: 10.7270/Q2WQ0557
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50435290 (CHEMBL2393096) Show SMILES NCCCCCCCCCCNc1c2CCCCc2nc2cc(Cl)ccc12 Show InChI InChI=1S/C23H34ClN3/c24-18-13-14-20-22(17-18)27-21-12-8-7-11-19(21)23(20)26-16-10-6-4-2-1-3-5-9-15-25/h13-14,17H,1-12,15-16,25H2,(H,26,27)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of electric eel AChE preincubated for 30 mins prior to horseradish peroxidase, H2O2 and DETAPAC addition measured for 20 mins under ROS co...				Bioorg Med Chem 21: 3614-23 (2013) Article DOI: 10.1016/j.bmc.2013.02.047 BindingDB Entry DOI: 10.7270/Q2WQ0557
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50435285 (CHEMBL2393101) Show SMILES CCCCCCCCCNc1c2CCCCc2nc2cc(Cl)ccc12 Show InChI InChI=1S/C22H31ClN2/c1-2-3-4-5-6-7-10-15-24-22-18-11-8-9-12-20(18)25-21-16-17(23)13-14-19(21)22/h13-14,16H,2-12,15H2,1H3,(H,24,25)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine as substrate preincubated for 10 mins prior to substrate addition measured every 30 seconds f...				Bioorg Med Chem 21: 3614-23 (2013) Article DOI: 10.1016/j.bmc.2013.02.047 BindingDB Entry DOI: 10.7270/Q2WQ0557
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50435282 (CHEMBL2393104) Show SMILES OCCCCCCNc1c2CCCCc2nc2cc(Cl)ccc12 Show InChI InChI=1S/C19H25ClN2O/c20-14-9-10-16-18(13-14)22-17-8-4-3-7-15(17)19(16)21-11-5-1-2-6-12-23/h9-10,13,23H,1-8,11-12H2,(H,21,22)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of electric eel AChE preincubated for 30 mins prior to horseradish peroxidase, H2O2 and DETAPAC addition measured for 20 mins under ROS co...				Bioorg Med Chem 21: 3614-23 (2013) Article DOI: 10.1016/j.bmc.2013.02.047 BindingDB Entry DOI: 10.7270/Q2WQ0557
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50435275 (CHEMBL2393111) Show SMILES Cc1cccc(Nc2ccccc2C(=O)NCCCCCC(=O)NCCCCCCNc2c3CCCCc3nc3cc(Cl)ccc23)c1C Show InChI InChI=1S/C40H50ClN5O2/c1-28-15-14-20-34(29(28)2)45-36-19-10-8-17-33(36)40(48)44-26-13-5-6-21-38(47)42-24-11-3-4-12-25-43-39-31-16-7-9-18-35(31)46-37-27-30(41)22-23-32(37)39/h8,10,14-15,17,19-20,22-23,27,45H,3-7,9,11-13,16,18,21,24-26H2,1-2H3,(H,42,47)(H,43,46)(H,44,48)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.90	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine as substrate preincubated for 10 mins prior to substrate addition measured every 30 seconds f...				Bioorg Med Chem 21: 3614-23 (2013) Article DOI: 10.1016/j.bmc.2013.02.047 BindingDB Entry DOI: 10.7270/Q2WQ0557
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50435277 (CHEMBL2393109) Show SMILES Cc1cccc(Nc2ccccc2C(=O)NCCC(=O)NCCCCCCNc2c3CCCCc3nc3cc(Cl)ccc23)c1C Show InChI InChI=1S/C37H44ClN5O2/c1-25-12-11-17-31(26(25)2)42-33-16-8-6-14-30(33)37(45)41-23-20-35(44)39-21-9-3-4-10-22-40-36-28-13-5-7-15-32(28)43-34-24-27(38)18-19-29(34)36/h6,8,11-12,14,16-19,24,42H,3-5,7,9-10,13,15,20-23H2,1-2H3,(H,39,44)(H,40,43)(H,41,45)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of electric eel AChE preincubated for 30 mins prior to horseradish peroxidase, H2O2 and DETAPAC addition measured for 20 mins under ROS co...				Bioorg Med Chem 21: 3614-23 (2013) Article DOI: 10.1016/j.bmc.2013.02.047 BindingDB Entry DOI: 10.7270/Q2WQ0557
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50435284 (CHEMBL2393102) Show SMILES CCCCCCCCCCNc1c2CCCCc2nc2cc(Cl)ccc12 Show InChI InChI=1S/C23H33ClN2/c1-2-3-4-5-6-7-8-11-16-25-23-19-12-9-10-13-21(19)26-22-17-18(24)14-15-20(22)23/h14-15,17H,2-13,16H2,1H3,(H,25,26)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.20	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine as substrate preincubated for 10 mins prior to substrate addition measured every 30 seconds f...				Bioorg Med Chem 21: 3614-23 (2013) Article DOI: 10.1016/j.bmc.2013.02.047 BindingDB Entry DOI: 10.7270/Q2WQ0557
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50435293 (CHEMBL2393093) Show SMILES NCCCCCCCNc1c2CCCCc2nc2cc(Cl)ccc12 Show InChI InChI=1S/C20H28ClN3/c21-15-10-11-17-19(14-15)24-18-9-5-4-8-16(18)20(17)23-13-7-3-1-2-6-12-22/h10-11,14H,1-9,12-13,22H2,(H,23,24)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.40	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine as substrate preincubated for 10 mins prior to substrate addition measured every 30 seconds f...				Bioorg Med Chem 21: 3614-23 (2013) Article DOI: 10.1016/j.bmc.2013.02.047 BindingDB Entry DOI: 10.7270/Q2WQ0557
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50435272 (CHEMBL2393225) Show SMILES Cc1cccc(Nc2ccccc2C(=O)NCCCC(=O)NCCCCCCCNc2c3CCCCc3nc3cc(Cl)ccc23)c1C Show InChI InChI=1S/C39H48ClN5O2/c1-27-14-12-19-33(28(27)2)44-35-18-9-7-16-32(35)39(47)43-25-13-20-37(46)41-23-10-4-3-5-11-24-42-38-30-15-6-8-17-34(30)45-36-26-29(40)21-22-31(36)38/h7,9,12,14,16,18-19,21-22,26,44H,3-6,8,10-11,13,15,17,20,23-25H2,1-2H3,(H,41,46)(H,42,45)(H,43,47)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.60	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of electric eel AChE preincubated for 30 mins prior to horseradish peroxidase, H2O2 and DETAPAC addition measured for 20 mins under ROS co...				Bioorg Med Chem 21: 3614-23 (2013) Article DOI: 10.1016/j.bmc.2013.02.047 BindingDB Entry DOI: 10.7270/Q2WQ0557
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50435269 (CHEMBL2393228) Show SMILES Cc1cccc(Nc2ccccc2C(=O)NCCCCCCCCCNc2c3CCCCc3nc3cc(Cl)ccc23)c1C Show InChI InChI=1S/C37H45ClN4O/c1-26-15-14-20-32(27(26)2)41-34-19-11-9-17-31(34)37(43)40-24-13-7-5-3-4-6-12-23-39-36-29-16-8-10-18-33(29)42-35-25-28(38)21-22-30(35)36/h9,11,14-15,17,19-22,25,41H,3-8,10,12-13,16,18,23-24H2,1-2H3,(H,39,42)(H,40,43)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.70	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of electric eel AChE preincubated for 30 mins prior to horseradish peroxidase, H2O2 and DETAPAC addition measured for 20 mins under ROS co...				Bioorg Med Chem 21: 3614-23 (2013) Article DOI: 10.1016/j.bmc.2013.02.047 BindingDB Entry DOI: 10.7270/Q2WQ0557
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50435273 (CHEMBL2393224) Show SMILES Cc1cccc(Nc2ccccc2C(=O)NCCC(=O)NCCCCCCCNc2c3CCCCc3nc3cc(Cl)ccc23)c1C Show InChI InChI=1S/C38H46ClN5O2/c1-26-13-12-18-32(27(26)2)43-34-17-9-7-15-31(34)38(46)42-24-21-36(45)40-22-10-4-3-5-11-23-41-37-29-14-6-8-16-33(29)44-35-25-28(39)19-20-30(35)37/h7,9,12-13,15,17-20,25,43H,3-6,8,10-11,14,16,21-24H2,1-2H3,(H,40,45)(H,41,44)(H,42,46)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.70	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine as substrate preincubated for 10 mins prior to substrate addition measured every 30 seconds f...				Bioorg Med Chem 21: 3614-23 (2013) Article DOI: 10.1016/j.bmc.2013.02.047 BindingDB Entry DOI: 10.7270/Q2WQ0557
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50435269 (CHEMBL2393228) Show SMILES Cc1cccc(Nc2ccccc2C(=O)NCCCCCCCCCNc2c3CCCCc3nc3cc(Cl)ccc23)c1C Show InChI InChI=1S/C37H45ClN4O/c1-26-15-14-20-32(27(26)2)41-34-19-11-9-17-31(34)37(43)40-24-13-7-5-3-4-6-12-23-39-36-29-16-8-10-18-33(29)42-35-25-28(38)21-22-30(35)36/h9,11,14-15,17,19-22,25,41H,3-8,10,12-13,16,18,23-24H2,1-2H3,(H,39,42)(H,40,43)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.90	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine as substrate preincubated for 10 mins prior to substrate addition measured every 30 seconds f...				Bioorg Med Chem 21: 3614-23 (2013) Article DOI: 10.1016/j.bmc.2013.02.047 BindingDB Entry DOI: 10.7270/Q2WQ0557
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50435275 (CHEMBL2393111) Show SMILES Cc1cccc(Nc2ccccc2C(=O)NCCCCCC(=O)NCCCCCCNc2c3CCCCc3nc3cc(Cl)ccc23)c1C Show InChI InChI=1S/C40H50ClN5O2/c1-28-15-14-20-34(29(28)2)45-36-19-10-8-17-33(36)40(48)44-26-13-5-6-21-38(47)42-24-11-3-4-12-25-43-39-31-16-7-9-18-35(31)46-37-27-30(41)22-23-32(37)39/h8,10,14-15,17,19-20,22-23,27,45H,3-7,9,11-13,16,18,21,24-26H2,1-2H3,(H,42,47)(H,43,46)(H,44,48)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.40	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of electric eel AChE preincubated for 30 mins prior to horseradish peroxidase, H2O2 and DETAPAC addition measured for 20 mins under ROS co...				Bioorg Med Chem 21: 3614-23 (2013) Article DOI: 10.1016/j.bmc.2013.02.047 BindingDB Entry DOI: 10.7270/Q2WQ0557
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50435272 (CHEMBL2393225) Show SMILES Cc1cccc(Nc2ccccc2C(=O)NCCCC(=O)NCCCCCCCNc2c3CCCCc3nc3cc(Cl)ccc23)c1C Show InChI InChI=1S/C39H48ClN5O2/c1-27-14-12-19-33(28(27)2)44-35-18-9-7-16-32(35)39(47)43-25-13-20-37(46)41-23-10-4-3-5-11-24-42-38-30-15-6-8-17-34(30)45-36-26-29(40)21-22-31(36)38/h7,9,12,14,16,18-19,21-22,26,44H,3-6,8,10-11,13,15,17,20,23-25H2,1-2H3,(H,41,46)(H,42,45)(H,43,47)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.90	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine as substrate preincubated for 10 mins prior to substrate addition measured every 30 seconds f...				Bioorg Med Chem 21: 3614-23 (2013) Article DOI: 10.1016/j.bmc.2013.02.047 BindingDB Entry DOI: 10.7270/Q2WQ0557
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50435294 (CHEMBL2393092) Show SMILES NCCCCCCNc1c2CCCCc2nc2cc(Cl)ccc12 Show InChI InChI=1S/C19H26ClN3/c20-14-9-10-16-18(13-14)23-17-8-4-3-7-15(17)19(16)22-12-6-2-1-5-11-21/h9-10,13H,1-8,11-12,21H2,(H,22,23)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.90	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of electric eel AChE preincubated for 30 mins prior to horseradish peroxidase, H2O2 and DETAPAC addition measured for 20 mins under ROS co...				Bioorg Med Chem 21: 3614-23 (2013) Article DOI: 10.1016/j.bmc.2013.02.047 BindingDB Entry DOI: 10.7270/Q2WQ0557
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50435286 (CHEMBL2393100) Show SMILES CCCCCCCCNc1c2CCCCc2nc2cc(Cl)ccc12 Show InChI InChI=1S/C21H29ClN2/c1-2-3-4-5-6-9-14-23-21-17-10-7-8-11-19(17)24-20-15-16(22)12-13-18(20)21/h12-13,15H,2-11,14H2,1H3,(H,23,24)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of electric eel AChE preincubated for 30 mins prior to horseradish peroxidase, H2O2 and DETAPAC addition measured for 20 mins under ROS co...				Bioorg Med Chem 21: 3614-23 (2013) Article DOI: 10.1016/j.bmc.2013.02.047 BindingDB Entry DOI: 10.7270/Q2WQ0557
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50435273 (CHEMBL2393224) Show SMILES Cc1cccc(Nc2ccccc2C(=O)NCCC(=O)NCCCCCCCNc2c3CCCCc3nc3cc(Cl)ccc23)c1C Show InChI InChI=1S/C38H46ClN5O2/c1-26-13-12-18-32(27(26)2)43-34-17-9-7-15-31(34)38(46)42-24-21-36(45)40-22-10-4-3-5-11-23-41-37-29-14-6-8-16-33(29)44-35-25-28(39)19-20-30(35)37/h7,9,12-13,15,17-20,25,43H,3-6,8,10-11,14,16,21-24H2,1-2H3,(H,40,45)(H,41,44)(H,42,46)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of electric eel AChE preincubated for 30 mins prior to horseradish peroxidase, H2O2 and DETAPAC addition measured for 20 mins under ROS co...				Bioorg Med Chem 21: 3614-23 (2013) Article DOI: 10.1016/j.bmc.2013.02.047 BindingDB Entry DOI: 10.7270/Q2WQ0557
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50435294 (CHEMBL2393092) Show SMILES NCCCCCCNc1c2CCCCc2nc2cc(Cl)ccc12 Show InChI InChI=1S/C19H26ClN3/c20-14-9-10-16-18(13-14)23-17-8-4-3-7-15(17)19(16)22-12-6-2-1-5-11-21/h9-10,13H,1-8,11-12,21H2,(H,22,23)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine as substrate preincubated for 10 mins prior to substrate addition measured every 30 seconds f...				Bioorg Med Chem 21: 3614-23 (2013) Article DOI: 10.1016/j.bmc.2013.02.047 BindingDB Entry DOI: 10.7270/Q2WQ0557
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50435271 (CHEMBL2393226) Show SMILES Cc1cccc(Nc2ccccc2C(=O)NCCCCCC(=O)NCCCCCCCNc2c3CCCCc3nc3cc(Cl)ccc23)c1C Show InChI InChI=1S/C41H52ClN5O2/c1-29-16-15-21-35(30(29)2)46-37-20-11-9-18-34(37)41(49)45-27-14-6-7-22-39(48)43-25-12-4-3-5-13-26-44-40-32-17-8-10-19-36(32)47-38-28-31(42)23-24-33(38)40/h9,11,15-16,18,20-21,23-24,28,46H,3-8,10,12-14,17,19,22,25-27H2,1-2H3,(H,43,48)(H,44,47)(H,45,49)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine as substrate preincubated for 10 mins prior to substrate addition measured every 30 seconds f...				Bioorg Med Chem 21: 3614-23 (2013) Article DOI: 10.1016/j.bmc.2013.02.047 BindingDB Entry DOI: 10.7270/Q2WQ0557
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50435280 (CHEMBL2393106) Show SMILES Cc1cccc(Nc2ccccc2C(=O)NCCCC(=O)NCCCCNc2c3CCCCc3nc3cc(Cl)ccc23)c1C Show InChI InChI=1S/C36H42ClN5O2/c1-24-11-9-16-30(25(24)2)41-32-15-6-4-13-29(32)36(44)40-22-10-17-34(43)38-20-7-8-21-39-35-27-12-3-5-14-31(27)42-33-23-26(37)18-19-28(33)35/h4,6,9,11,13,15-16,18-19,23,41H,3,5,7-8,10,12,14,17,20-22H2,1-2H3,(H,38,43)(H,39,42)(H,40,44)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of electric eel AChE preincubated for 30 mins prior to horseradish peroxidase, H2O2 and DETAPAC addition measured for 20 mins under ROS co...				Bioorg Med Chem 21: 3614-23 (2013) Article DOI: 10.1016/j.bmc.2013.02.047 BindingDB Entry DOI: 10.7270/Q2WQ0557
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50435271 (CHEMBL2393226) Show SMILES Cc1cccc(Nc2ccccc2C(=O)NCCCCCC(=O)NCCCCCCCNc2c3CCCCc3nc3cc(Cl)ccc23)c1C Show InChI InChI=1S/C41H52ClN5O2/c1-29-16-15-21-35(30(29)2)46-37-20-11-9-18-34(37)41(49)45-27-14-6-7-22-39(48)43-25-12-4-3-5-13-26-44-40-32-17-8-10-19-36(32)47-38-28-31(42)23-24-33(38)40/h9,11,15-16,18,20-21,23-24,28,46H,3-8,10,12-14,17,19,22,25-27H2,1-2H3,(H,43,48)(H,44,47)(H,45,49)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of electric eel AChE preincubated for 30 mins prior to horseradish peroxidase, H2O2 and DETAPAC addition measured for 20 mins under ROS co...				Bioorg Med Chem 21: 3614-23 (2013) Article DOI: 10.1016/j.bmc.2013.02.047 BindingDB Entry DOI: 10.7270/Q2WQ0557
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50435280 (CHEMBL2393106) Show SMILES Cc1cccc(Nc2ccccc2C(=O)NCCCC(=O)NCCCCNc2c3CCCCc3nc3cc(Cl)ccc23)c1C Show InChI InChI=1S/C36H42ClN5O2/c1-24-11-9-16-30(25(24)2)41-32-15-6-4-13-29(32)36(44)40-22-10-17-34(43)38-20-7-8-21-39-35-27-12-3-5-14-31(27)42-33-23-26(37)18-19-28(33)35/h4,6,9,11,13,15-16,18-19,23,41H,3,5,7-8,10,12,14,17,20-22H2,1-2H3,(H,38,43)(H,39,42)(H,40,44)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine as substrate preincubated for 10 mins prior to substrate addition measured every 30 seconds f...				Bioorg Med Chem 21: 3614-23 (2013) Article DOI: 10.1016/j.bmc.2013.02.047 BindingDB Entry DOI: 10.7270/Q2WQ0557
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50435293 (CHEMBL2393093) Show SMILES NCCCCCCCNc1c2CCCCc2nc2cc(Cl)ccc12 Show InChI InChI=1S/C20H28ClN3/c21-15-10-11-17-19(14-15)24-18-9-5-4-8-16(18)20(17)23-13-7-3-1-2-6-12-22/h10-11,14H,1-9,12-13,22H2,(H,23,24)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of electric eel AChE preincubated for 30 mins prior to horseradish peroxidase, H2O2 and DETAPAC addition measured for 20 mins under ROS co...				Bioorg Med Chem 21: 3614-23 (2013) Article DOI: 10.1016/j.bmc.2013.02.047 BindingDB Entry DOI: 10.7270/Q2WQ0557
					More data for this Ligand-Target Pair
N-acetyltransferase Eis (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50201765 (CHEMBL3931070) Show SMILES Clc1cccc(c1)C(=O)CN1C(=O)C2(OCCO2)c2ccccc12 Show InChI InChI=1S/C18H14ClNO4/c19-13-5-3-4-12(10-13)16(21)11-20-15-7-2-1-6-14(15)18(17(20)22)23-8-9-24-18/h1-7,10H,8-9,11H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
University of Kentucky Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis H37Rv Eis expressed in Escherichia coli BL21(DE3) using Acetyl-CoA as substrate preincubated for 10 mins fol...				ACS Med Chem Lett 7: 1219-1221 (2016) Article DOI: 10.1021/acsmedchemlett.6b00261 BindingDB Entry DOI: 10.7270/Q2251M51
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM9002 (6-chloro-N-heptyl-1,2,3,4-tetrahydroacridin-9-amin...) Show SMILES CCCCCCCNc1c2CCCCc2nc2cc(Cl)ccc12 Show InChI InChI=1S/C20H27ClN2/c1-2-3-4-5-8-13-22-20-16-9-6-7-10-18(16)23-19-14-15(21)11-12-17(19)20/h11-12,14H,2-10,13H2,1H3,(H,22,23)	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine as substrate preincubated for 10 mins prior to substrate addition measured every 30 seconds f...				Bioorg Med Chem 21: 3614-23 (2013) Article DOI: 10.1016/j.bmc.2013.02.047 BindingDB Entry DOI: 10.7270/Q2WQ0557
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50435267 (CHEMBL2393089) Show SMILES Cc1cccc(Nc2ccccc2C(=O)NCCCCCCCCCCCCNc2c3CCCCc3nc3cc(Cl)ccc23)c1C Show InChI InChI=1S/C40H51ClN4O/c1-29-18-17-23-35(30(29)2)44-37-22-14-12-20-34(37)40(46)43-27-16-10-8-6-4-3-5-7-9-15-26-42-39-32-19-11-13-21-36(32)45-38-28-31(41)24-25-33(38)39/h12,14,17-18,20,22-25,28,44H,3-11,13,15-16,19,21,26-27H2,1-2H3,(H,42,45)(H,43,46)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of electric eel AChE preincubated for 30 mins prior to horseradish peroxidase, H2O2 and DETAPAC addition measured for 20 mins under ROS co...				Bioorg Med Chem 21: 3614-23 (2013) Article DOI: 10.1016/j.bmc.2013.02.047 BindingDB Entry DOI: 10.7270/Q2WQ0557
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50435276 (CHEMBL2393110) Show SMILES Cc1cccc(Nc2ccccc2C(=O)NCCCC(=O)NCCCCCCNc2c3CCCCc3nc3cc(Cl)ccc23)c1C Show InChI InChI=1S/C38H46ClN5O2/c1-26-13-11-18-32(27(26)2)43-34-17-8-6-15-31(34)38(46)42-24-12-19-36(45)40-22-9-3-4-10-23-41-37-29-14-5-7-16-33(29)44-35-25-28(39)20-21-30(35)37/h6,8,11,13,15,17-18,20-21,25,43H,3-5,7,9-10,12,14,16,19,22-24H2,1-2H3,(H,40,45)(H,41,44)(H,42,46)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of electric eel AChE preincubated for 30 mins prior to horseradish peroxidase, H2O2 and DETAPAC addition measured for 20 mins under ROS co...				Bioorg Med Chem 21: 3614-23 (2013) Article DOI: 10.1016/j.bmc.2013.02.047 BindingDB Entry DOI: 10.7270/Q2WQ0557
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50435285 (CHEMBL2393101) Show SMILES CCCCCCCCCNc1c2CCCCc2nc2cc(Cl)ccc12 Show InChI InChI=1S/C22H31ClN2/c1-2-3-4-5-6-7-10-15-24-22-18-11-8-9-12-20(18)25-21-16-17(23)13-14-19(21)22/h13-14,16H,2-12,15H2,1H3,(H,24,25)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of electric eel AChE preincubated for 30 mins prior to horseradish peroxidase, H2O2 and DETAPAC addition measured for 20 mins under ROS co...				Bioorg Med Chem 21: 3614-23 (2013) Article DOI: 10.1016/j.bmc.2013.02.047 BindingDB Entry DOI: 10.7270/Q2WQ0557
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50435286 (CHEMBL2393100) Show SMILES CCCCCCCCNc1c2CCCCc2nc2cc(Cl)ccc12 Show InChI InChI=1S/C21H29ClN2/c1-2-3-4-5-6-9-14-23-21-17-10-7-8-11-19(17)24-20-15-16(22)12-13-18(20)21/h12-13,15H,2-11,14H2,1H3,(H,23,24)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine as substrate preincubated for 10 mins prior to substrate addition measured every 30 seconds f...				Bioorg Med Chem 21: 3614-23 (2013) Article DOI: 10.1016/j.bmc.2013.02.047 BindingDB Entry DOI: 10.7270/Q2WQ0557
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50435287 (CHEMBL2393099) Show SMILES CCCCCCNc1c2CCCCc2nc2cc(Cl)ccc12 Show InChI InChI=1S/C19H25ClN2/c1-2-3-4-7-12-21-19-15-8-5-6-9-17(15)22-18-13-14(20)10-11-16(18)19/h10-11,13H,2-9,12H2,1H3,(H,21,22)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of electric eel AChE preincubated for 30 mins prior to horseradish peroxidase, H2O2 and DETAPAC addition measured for 20 mins under ROS co...				Bioorg Med Chem 21: 3614-23 (2013) Article DOI: 10.1016/j.bmc.2013.02.047 BindingDB Entry DOI: 10.7270/Q2WQ0557
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50435288 (CHEMBL2393098) Show SMILES CCCCCNc1c2CCCCc2nc2cc(Cl)ccc12 Show InChI InChI=1S/C18H23ClN2/c1-2-3-6-11-20-18-14-7-4-5-8-16(14)21-17-12-13(19)9-10-15(17)18/h9-10,12H,2-8,11H2,1H3,(H,20,21)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine as substrate preincubated for 10 mins prior to substrate addition measured every 30 seconds f...				Bioorg Med Chem 21: 3614-23 (2013) Article DOI: 10.1016/j.bmc.2013.02.047 BindingDB Entry DOI: 10.7270/Q2WQ0557
					More data for this Ligand-Target Pair
N-acetyltransferase Eis (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM349600 (US10208000, Compound 42) Show SMILES CCc1cccc(c1)N(C)S(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 Show InChI InChI=1S/C17H17N3O4S/c1-3-11-5-4-6-12(9-11)20(2)25(23,24)13-7-8-14-15(10-13)19-17(22)16(21)18-14/h4-10H,3H2,1-2H3,(H,18,21)(H,19,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
University of Kentucky Research Foundation US Patent					Assay Description To investigate the potential of these compounds as Eis inhibitors for use in combination with KAN, their biochemical (IC50 values against purified Ei...				US Patent US10208000 (2019) BindingDB Entry DOI: 10.7270/Q28S4S2Z
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50435274 (CHEMBL2390978) Show SMILES Cc1cccc(Nc2ccccc2C(=O)NCCCCCCCNc2c3CCCCc3nc3cc(Cl)ccc23)c1C Show InChI InChI=1S/C35H41ClN4O/c1-24-13-12-18-30(25(24)2)39-32-17-9-7-15-29(32)35(41)38-22-11-5-3-4-10-21-37-34-27-14-6-8-16-31(27)40-33-23-26(36)19-20-28(33)34/h7,9,12-13,15,17-20,23,39H,3-6,8,10-11,14,16,21-22H2,1-2H3,(H,37,40)(H,38,41)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of electric eel AChE preincubated for 30 mins prior to horseradish peroxidase, H2O2 and DETAPAC addition measured for 20 mins under ROS co...				Bioorg Med Chem 21: 3614-23 (2013) Article DOI: 10.1016/j.bmc.2013.02.047 BindingDB Entry DOI: 10.7270/Q2WQ0557
					More data for this Ligand-Target Pair

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